#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pve s LYS 102 N 0.00 2.82 0.45 0.03 -0.14 -1.26 -4.91 119.74 116.72 2pve s LYS 102 Ca 0.00 -0.84 -0.22 0.00 -1.36 0.00 0.00 55.97 53.55 2pve s LYS 102 Cb 0.00 -2.63 -0.09 0.00 -1.68 0.00 0.00 37.83 33.43 2pve s LYS 102 CO 0.00 0.51 1.02 0.15 -0.76 0.00 0.00 175.35 176.27 2pve s LYS 103 N -2.84 4.00 0.09 1.68 1.02 -1.26 -4.57 119.74 117.85 2pve s LYS 103 Ca 0.30 1.36 0.09 0.00 0.02 0.00 0.00 55.97 57.73 2pve s LYS 103 Cb -0.11 -2.26 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 2pve s LYS 103 CO 0.22 -0.26 -0.23 0.71 -0.92 0.00 0.00 175.35 174.87 2pve s TYR 104 N -1.91 1.98 0.01 3.18 1.51 -0.77 -1.26 117.35 120.08 2pve s TYR 104 Ca 0.63 -0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.34 2pve s TYR 104 Cb -0.17 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.55 2pve s TYR 104 CO 0.21 0.20 -0.15 0.99 -1.11 0.00 0.00 175.55 175.69 2pve s THR 105 N -1.00 1.15 -0.08 -0.71 2.01 0.16 -0.14 115.64 117.02 2pve s THR 105 Ca 0.09 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.99 2pve s THR 105 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2pve s THR 105 CO 0.04 0.18 1.33 0.00 -0.69 0.00 0.00 174.62 175.47 2pve h LYS 107 N 8.08 0.00 0.00 0.00 1.57 -1.05 -0.12 116.57 125.04 2pve h LYS 107 Ca -0.33 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.41 2pve h LYS 107 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2pve h LYS 107 CO 0.93 0.00 -0.26 0.82 -0.57 0.00 0.00 179.45 180.37 2pve h ILE 108 N 0.00 1.09 0.00 1.86 1.08 -1.91 -3.43 117.51 116.20 2pve h ILE 108 Ca 0.00 -1.90 0.00 0.00 -0.39 0.00 0.00 64.86 62.57 2pve h ILE 108 Cb 0.38 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.27 2pve h ILE 108 CO 0.00 0.37 -0.15 0.00 -0.69 0.00 0.00 178.15 177.68 2pve n GLY 110 N 1.13 0.84 3.63 0.00 0.00 -0.06 -5.00 105.19 105.72 2pve n GLY 110 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2pve n GLY 110 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2pve n TYR 111 N -2.07 1.64 -3.75 1.61 9.36 -1.26 -4.55 117.16 118.14 2pve n TYR 111 Ca 0.00 0.64 -0.37 0.00 3.32 0.00 0.00 57.90 61.50 2pve n TYR 111 Cb 0.00 -2.31 -0.12 0.00 -0.63 0.00 0.00 39.34 36.27 2pve n TYR 111 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2pve s ILE 112 N -1.00 4.32 -0.35 2.97 -1.09 -1.26 -0.75 121.20 124.04 2pve s ILE 112 Ca 0.58 -0.19 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2pve s ILE 112 Cb -0.66 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2pve s ILE 112 CO 0.60 0.32 0.93 -0.47 -1.23 0.00 0.00 174.94 175.10 2pve s TYR 113 N 1.61 3.12 -0.34 3.97 5.04 0.80 -4.96 117.35 126.59 2pve s TYR 113 Ca 0.06 0.87 -0.07 0.00 -2.44 0.00 0.00 57.07 55.49 2pve s TYR 113 Cb -0.15 -3.57 0.03 0.00 0.35 0.00 0.00 41.96 38.62 2pve s TYR 113 CO 0.04 -0.76 0.11 1.21 -1.34 0.00 0.00 175.55 174.80 2pve s ASN 114 N 1.78 5.32 0.57 4.32 3.84 -1.26 -1.85 114.94 127.66 2pve s ASN 114 Ca 0.38 -1.07 0.27 0.00 0.21 0.00 0.00 52.86 52.65 2pve s ASN 114 Cb -0.12 -1.88 1.66 0.00 -0.55 0.00 0.00 41.25 40.35 2pve s ASN 114 CO 0.17 -0.31 2.19 1.55 -2.79 0.00 0.00 177.10 177.90 2pve h PRO 115 N 8.24 0.00 0.00 0.43 0.13 -1.81 -0.38 132.00 138.61 2pve h PRO 115 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.83 2pve h PRO 115 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2pve h PRO 115 CO 0.61 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.05 2pve h GLU 116 N 0.00 0.00 0.00 0.86 5.08 -1.94 0.36 114.58 118.93 2pve h GLU 116 Ca 0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.12 2pve h GLU 116 Cb 0.16 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 2pve h GLU 116 CO -0.00 0.25 -1.86 -0.25 -1.00 0.00 0.00 179.01 176.15 2pve n ASP 117 N -3.62 0.55 -0.09 1.42 8.00 -0.41 -4.45 116.55 117.95 2pve n ASP 117 Ca -0.01 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.75 2pve n ASP 117 Cb 0.38 0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 2pve n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pve n GLY 118 N 1.56 0.31 2.24 0.44 0.00 -0.29 -4.09 105.19 105.35 2pve n GLY 118 Ca -0.19 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 2pve n GLY 118 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pve n ASP 119 N -2.42 0.85 0.08 1.61 2.03 0.53 -4.65 116.55 114.58 2pve n ASP 119 Ca 0.00 -2.90 0.01 0.00 0.52 0.00 0.00 54.79 52.42 2pve n ASP 119 Cb 0.00 -0.63 0.35 0.00 -0.72 0.00 0.00 41.12 40.12 2pve n ASP 119 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2pve h PRO 120 N 3.62 0.31 0.00 -0.67 0.11 -1.59 -1.08 132.00 132.70 2pve h PRO 120 Ca 0.09 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2pve h PRO 120 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2pve h PRO 120 CO 0.52 0.45 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 2pve n ASP 121 N -4.25 0.00 -0.63 -2.05 10.43 -1.26 -1.15 116.55 117.64 2pve n ASP 121 Ca -0.00 -0.21 0.08 0.00 2.57 0.00 0.00 54.79 57.23 2pve n ASP 121 Cb 0.28 -0.23 0.21 0.00 1.84 0.00 0.00 41.12 43.22 2pve n ASP 121 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2pve n ASN 122 N -1.23 3.34 0.00 -2.24 3.02 -0.49 -4.99 115.26 112.67 2pve n ASN 122 Ca 0.13 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.77 2pve n ASN 122 Cb 0.18 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 2pve n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pve n GLY 123 N -0.67 0.67 3.23 7.41 0.00 -0.30 -5.03 105.19 110.51 2pve n GLY 123 Ca 0.18 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2pve n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pve s VAL 124 N -2.00 3.61 0.56 1.61 -7.23 -0.71 -4.97 120.40 111.27 2pve s VAL 124 Ca 0.00 -1.35 -0.16 0.00 -1.81 0.00 0.00 61.98 58.66 2pve s VAL 124 Cb 0.00 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.75 2pve s VAL 124 CO 0.00 -0.28 1.02 0.20 -0.31 0.00 0.00 175.10 175.73 2pve s ASN 125 N 1.54 6.21 0.29 4.85 -0.87 -1.26 -0.35 114.94 125.35 2pve s ASN 125 Ca -0.00 1.68 -0.27 0.00 -1.57 0.00 0.00 52.86 52.69 2pve s ASN 125 Cb -0.21 -2.52 -0.14 0.00 -0.02 0.00 0.00 41.25 38.36 2pve s ASN 125 CO 0.01 -0.87 0.89 -2.65 -2.57 0.00 0.00 177.10 171.91 2pve n PRO 126 N -1.84 1.06 -0.46 -0.60 -0.02 -1.26 -2.18 135.00 129.70 2pve n PRO 126 Ca 0.08 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 2pve n PRO 126 Cb 0.53 -1.68 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 2pve n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pve n GLY 127 N 1.39 0.74 3.66 -1.23 0.00 0.12 -4.90 105.19 104.97 2pve n GLY 127 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 2pve n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pve s THR 128 N -2.78 4.86 0.44 2.61 2.01 -0.93 -5.00 115.64 116.86 2pve s THR 128 Ca 0.00 1.59 -0.25 0.00 0.31 0.00 0.00 61.69 63.35 2pve s THR 128 Cb 0.00 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 68.31 2pve s THR 128 CO 0.00 -0.02 1.27 -0.62 -0.69 0.00 0.00 174.62 174.56 2pve s ASP 129 N 1.24 6.13 0.26 3.53 2.15 -1.26 -4.59 116.67 124.14 2pve s ASP 129 Ca 0.36 2.56 -0.01 0.00 0.43 0.00 0.00 52.55 55.90 2pve s ASP 129 Cb -0.16 -2.63 0.56 0.00 -0.30 0.00 0.00 42.92 40.39 2pve s ASP 129 CO 0.10 -0.97 1.74 0.15 -0.17 0.00 0.00 175.17 176.02 2pve h PHE 130 N 2.33 0.68 -0.97 -5.34 3.04 -1.96 0.21 116.94 114.93 2pve h PHE 130 Ca -0.50 0.04 0.19 0.00 3.98 0.00 0.00 57.97 61.67 2pve h PHE 130 Cb 1.25 -0.18 -0.09 0.00 2.56 0.00 0.00 35.95 39.50 2pve h PHE 130 CO 0.52 0.11 0.61 -0.22 -2.02 0.00 0.00 178.31 177.31 2pve h LYS 131 N 0.54 0.66 -0.01 1.11 3.64 -1.98 -2.12 116.57 118.40 2pve h LYS 131 Ca 0.47 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2pve h LYS 131 Cb 0.73 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2pve h LYS 131 CO -0.41 0.44 -0.17 -0.25 -2.27 0.00 0.00 179.45 176.79 2pve n ASP 132 N -4.66 1.37 -4.72 4.20 10.43 0.04 -4.85 116.55 118.36 2pve n ASP 132 Ca 0.21 -1.21 -0.43 0.00 2.57 0.00 0.00 54.79 55.94 2pve n ASP 132 Cb 0.59 0.11 -0.02 0.00 1.84 0.00 0.00 41.12 43.63 2pve n ASP 132 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2pve n ILE 133 N -0.21 0.96 -1.62 0.53 5.41 -0.80 -4.90 119.36 118.72 2pve n ILE 133 Ca 0.14 -0.24 -0.44 0.00 1.00 0.00 0.00 62.75 63.21 2pve n ILE 133 Cb 0.37 -1.79 -0.01 0.00 -0.71 0.00 0.00 39.64 37.49 2pve n ILE 133 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2pve n PRO 134 N 2.18 1.57 0.00 0.38 -0.02 -1.26 -4.82 135.00 133.03 2pve n PRO 134 Ca 0.10 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.24 2pve n PRO 134 Cb 0.35 -1.99 0.64 0.00 -0.02 0.00 0.00 33.50 32.47 2pve n PRO 134 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2pve n ASP 135 N 1.18 0.00 -0.94 2.55 8.00 -1.26 -1.17 116.55 124.91 2pve n ASP 135 Ca 0.09 -0.60 0.11 0.00 0.71 0.00 0.00 54.79 55.10 2pve n ASP 135 Cb 0.33 -0.04 0.12 0.00 -0.02 0.00 0.00 41.12 41.51 2pve n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2pve n ASP 136 N -1.04 2.98 -4.74 -2.24 3.85 -1.26 -4.73 116.55 109.38 2pve n ASP 136 Ca 0.16 -1.94 -0.36 0.00 -0.71 0.00 0.00 54.79 51.93 2pve n ASP 136 Cb 0.09 -0.05 0.05 0.00 -1.35 0.00 0.00 41.12 39.86 2pve n ASP 136 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 2pve s TRP 137 N -1.78 2.25 0.19 2.11 -0.00 -0.31 -5.02 118.94 116.37 2pve s TRP 137 Ca 0.29 1.51 0.06 0.00 -0.00 0.00 0.00 56.10 57.95 2pve s TRP 137 Cb 0.19 -3.56 -0.05 0.00 -0.00 0.00 0.00 33.47 30.06 2pve s TRP 137 CO 0.29 -2.50 -0.10 0.14 -0.00 0.00 0.00 176.95 174.78 2pve s VAL 138 N -1.55 1.38 0.15 5.86 -7.23 -1.26 -3.96 120.40 113.78 2pve s VAL 138 Ca 0.79 -2.11 -0.33 0.00 -1.81 0.00 0.00 61.98 58.51 2pve s VAL 138 Cb -0.33 -2.04 -0.13 0.00 0.56 0.00 0.00 36.38 34.44 2pve s VAL 138 CO 0.36 -0.60 1.64 0.00 -0.31 0.00 0.00 175.10 176.20 2pve n PRO 140 N 3.90 0.06 -0.09 0.00 -0.04 -1.26 -1.02 135.00 136.55 2pve n PRO 140 Ca 0.17 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2pve n PRO 140 Cb 0.30 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 2pve n PRO 140 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pve n ILE 141 N -1.70 1.47 0.43 0.52 2.08 -1.26 -4.75 119.36 116.15 2pve n ILE 141 Ca 0.05 0.10 0.05 0.00 0.56 0.00 0.00 62.75 63.50 2pve n ILE 141 Cb 0.27 -2.23 -0.02 0.00 -0.75 0.00 0.00 39.64 36.91 2pve n ILE 141 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2pve n GLY 143 N 1.00 0.83 3.76 0.00 0.00 -0.19 -4.98 105.19 105.62 2pve n GLY 143 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2pve n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pve s ALA 144 N -3.25 3.14 0.95 4.61 0.00 -1.26 -4.42 121.76 121.54 2pve s ALA 144 Ca 0.00 1.24 -0.11 0.00 0.00 0.00 0.00 51.96 53.09 2pve s ALA 144 Cb 0.00 -3.50 0.16 0.00 0.00 0.00 0.00 23.12 19.78 2pve s ALA 144 CO 0.00 -0.95 1.09 -1.25 0.00 0.00 0.00 175.76 174.65 2pve s PRO 145 N -2.45 0.77 0.53 0.00 0.04 -1.26 -0.58 135.00 132.04 2pve s PRO 145 Ca 0.61 0.96 0.23 0.00 0.04 0.00 0.00 61.00 62.84 2pve s PRO 145 Cb -0.38 -1.74 1.37 0.00 0.04 0.00 0.00 34.50 33.79 2pve s PRO 145 CO 0.48 -2.62 2.04 0.87 0.04 0.00 0.00 177.00 177.81 2pve h LYS 146 N -1.83 0.00 0.00 4.56 1.57 -1.85 -1.03 116.57 117.99 2pve h LYS 146 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 2pve h LYS 146 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 2pve h LYS 146 CO 0.51 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.05 2pve h SER 147 N 0.00 0.00 -0.20 0.86 4.64 -1.95 -1.31 113.55 115.59 2pve h SER 147 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2pve h SER 147 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 2pve h SER 147 CO -0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 2pve n GLU 148 N -2.67 1.77 -3.82 4.77 -0.58 -0.39 -4.91 120.64 114.82 2pve n GLU 148 Ca -0.02 -1.17 -0.23 0.00 -0.42 0.00 0.00 57.16 55.32 2pve n GLU 148 Cb 0.06 -1.38 -0.02 0.00 -0.57 0.00 0.00 31.44 29.52 2pve n GLU 148 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2pve s PHE 149 N -1.74 3.47 0.02 -0.32 0.40 -0.50 -0.36 117.98 118.95 2pve s PHE 149 Ca 0.31 0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.71 2pve s PHE 149 Cb 0.17 -1.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.00 2pve s PHE 149 CO 0.25 0.39 0.09 -1.83 0.70 0.00 0.00 175.22 174.82 2pve s GLU 150 N -3.81 0.52 0.36 0.44 -1.05 -0.36 -4.91 118.70 109.89 2pve s GLU 150 Ca 0.36 -0.63 -0.28 0.00 -0.15 0.00 0.00 54.97 54.27 2pve s GLU 150 Cb -0.10 0.21 -0.10 0.00 -0.44 0.00 0.00 34.13 33.70 2pve s GLU 150 CO 0.30 -0.12 1.37 -2.00 0.95 0.00 0.00 175.26 175.75 2pve s GLU 151 N -2.09 4.18 0.00 -4.83 2.12 -1.26 -0.66 118.70 116.16 2pve s GLU 151 Ca -0.09 2.33 0.12 0.00 0.36 0.00 0.00 54.97 57.68 2pve s GLU 151 Cb -0.04 -2.97 0.71 0.00 0.26 0.00 0.00 34.13 32.09 2pve s GLU 151 CO -0.02 -0.37 1.14 0.28 -0.54 0.00 0.00 175.26 175.74